1-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[3-methyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-3-methyl-7-(3-methylbenzyl)purin-8-yl]isonipecotamide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H24N6O3/c1-12-4-3-5-13(10-12)11-26-15-17(24(2)20(29)23-18(15)28)22-19(26)25-8-6-14(7-9-25)16(21)27/h3-5,10,14H,6-9,11H2,1-2H3,(H2,21,27)(H,23,28,29)